Geometry & MOs

Info

ID:	397521
PubChem CID:	135030335
Reduced:	N2O2H9C11 (2)
Stoich.:	A2B2C9D11 (2)
Weight, g/mol:	385.179027
ΔH_f, kcal/mol:	10.03
Dipole, Da:	6.93
IP(EA), eV:	-8.96(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-indol-1-yl-4-phenyl-6-propan-2-ylpyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C(N=C1C2=CC(=CC=C2)[N+](=O)[O-])N3C=CC4=CC=CC=C43)C

DOS

IR

Vibrations